[2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)-4-fluoro-anilino)-2-oxo-ethyl] (E)-3-quinoxalin-2-ylprop-2-enoate CAS Name: (E)-3-(2-quinoxalinyl)-2-propenoic acid [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] (E)-3-quinoxalin-2-ylprop-2-enoate Traditional Name: (E)-3-quinoxalin-2-ylacrylic acid [2-(N-(3-amino-3-keto-propyl)-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H19FN4O4 MolecularWeight: 422.409063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C=CC(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)/C=C/C(=O)OCC(=O)N(CCC(=O)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H19FN4O4/c23-15-5-8-17(9-6-15)27(12-11-20(24)28)21(29)14-31-22(30)10-7-16-13-25-18-3-1-2-4-19(18)26-16/h1-10,13H,11-12,14H2,(H2,24,28)/b10-7+